SCHEMBL4223907

SCHEMBL4223907

COc1cccc(OC)c1CNC(=O)Nc1cccc(C[C@@H](C)NC(CO)c2ccc3c(c2)COC(C)(C)O3)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 1/20 0.34
PDGFRB P09619 1/20 0.34
FLT4 P35916 1/20 0.34
FLT3 P36888 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
CASR P41180 1/20 0.34
ADRB2 P07550 3/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.33
CCR3 P51677 1/20 0.33
NAMPT P43490 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1205935 0.84 MEN1 (0.42) ROCK2SMN1; SMN2ITGB3ITGAVRAB9A
SCHEMBL1204325 0.79 ADRB2 (0.52) ROCK2SMN1; SMN2ADRB2KMT2A
SCHEMBL1206030 0.76 ADRB2 (0.47) SMN1; SMN2ITGB3ITGAVADRB2
SCHEMBL1206028 0.76 ADRB2 (0.47) SMN1; SMN2ITGB3ITGAVADRB2
SCHEMBL2824703 0.72 ADRB2 (0.47) SMN1; SMN2ADRB2
SCHEMBL2824699 0.72 ADRB2 (0.47) SMN1; SMN2ADRB2
SCHEMBL1205939 0.70 ADRB2 (0.46) SMN1; SMN2RAB9AADRB2KMT2ANPC1
SCHEMBL1205430 0.70 ADRB2 (0.46) SMN1; SMN2ADRB2
SCHEMBL1205434 0.70 ADRB2 (0.46) SMN1; SMN2ADRB2
SCHEMBL1206056 0.69 ROCK2 (0.47) ROCK2SMN1; SMN2HIF1ARAB9APKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096105-A1 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the b2 adrenergic receptor Laboratorios Almirall, S.A. (ES) 2009-09-02 EP disclosed